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Chemical ID: 6503450
Chemical ID:
6503450
Name [?]:
1-(2-ethoxyhexyl)piperidine
SMILES [?]:
CCCCC(CN1CCCCC1)OCC
InChi [?]:
InChI=1/C13H27NO/c1-3-5-9-13(15-4-2)12-14-10-7-6-8-11-14/h13H,3-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,14,3,10,9,11,4,8,12,6,5,7,13/E:(7,8)(10,11)/rA:15cCCCCCCNCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s7s11;s5;s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H27NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.33607 |
Area: | 435.786 |
Solvation: | -2.55858 |
Coulombic: | -13.611 |
Bond Count [?]
All: | 15 |
Single: | 15 |
Double: | 0 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 213.36 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.12 |
LogP (Chemaxon): | 2.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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